BDBM50432291 CHEMBL2347694

SMILES: CN1CCCC[C@@](COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(C1)c1ccccc1

InChI Key: InChIKey=FVMGZIMTEZPJGA-NRFANRHFSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50432291   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50432291 (CHEMBL2347694) Show SMILES CN1CCCC[C@@](COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(C1)c1ccccc1 |r| Show InChI InChI=1S/C23H25F6NO/c1-30-10-6-5-9-21(15-30,18-7-3-2-4-8-18)16-31-14-17-11-19(22(24,25)26)13-20(12-17)23(27,28)29/h2-4,7-8,11-13H,5-6,9-10,14-16H2,1H3/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human recombinant SERT expressed in HEK293 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50432291 (CHEMBL2347694) Show SMILES CN1CCCC[C@@](COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(C1)c1ccccc1 |r| Show InChI InChI=1S/C23H25F6NO/c1-30-10-6-5-9-21(15-30,18-7-3-2-4-8-18)16-31-14-17-11-19(22(24,25)26)13-20(12-17)23(27,28)29/h2-4,7-8,11-13H,5-6,9-10,14-16H2,1H3/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human recombinant NK1 receptor expressed in human U373 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair